| SpectraBase Compound ID | GpYeTWfGdvL |
|---|---|
| InChI | InChI=1S/C34H51FO2S/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-9-24-21-27(37-32(38)36-26-12-10-25(35)11-13-26)17-19-33(24,4)31(28)18-20-34(29,30)5/h10-13,22-24,27-31H,6-9,14-21H2,1-5H3/t23-,24?,27+,28?,29?,30?,31?,33+,34-/m1/s1 |
| InChIKey | BEYNQHHOLQKOIS-KORYJERASA-N |
| Mol Weight | 542.8 g/mol |
| Molecular Formula | C34H51FO2S |
| Exact Mass | 542.35938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FKIybuH4d8k |
|---|---|
| Name | O-Cholestan-3.beta.-yl-O'-(4-fluorophenyl)thionocarbonate |
| Alternate Name(s) | O-[(3beta)-cholestan-3-yl]O-(4-fluorophenyl) thiocarbonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H51FO2S |
| InChI | InChI=1S/C34H51FO2S/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-9-24-21-27(37-32(38)36-26-12-10-25(35)11-13-26)17-19-33(24,4)31(28)18-20-34(29,30)5/h10-13,22-24,27-31H,6-9,14-21H2,1-5H3/t23-,24?,27+,28?,29?,30?,31?,33+,34-/m1/s1 |
| InChIKey | BEYNQHHOLQKOIS-KORYJERASA-N |
| Molecular Weight | 542.838 g/mol |
| SMILES | [C@@]12(C(C3CCC4[C@@](C3CC2)(CC[C@](OC(=S)Oc2ccc(cc2)F)(C4)[H])C)CCC1[C@@](CCCC(C)C)(C)[H])C |
| SPLASH | splash10-03di-9833000000-65acddacfcec13a32de1 |
| Source of Spectrum | F-49-2802-4 |
| Wiley ID | 1404891 |